N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-butyramidophenyl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4S/c1-2-6-21(29)24-17-8-10-18(11-9-17)25-23(33)26-22(30)16-7-12-19(20(15-16)28(31)32)27-13-4-3-5-14-27/h7-12,15H,2-6,13-14H2,1H3,(H,24,29)(H2,25,26,30,33)